Impact of the electronic structure on the solubility and diffusion of 3<i>d</i>transition elements in silicon

Gilles, D.; Schröter, W.; Bergholz, W.

doi:10.1103/physrevb.41.5770

Cited by 131 publications

(88 citation statements)

References 22 publications

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“…This is explainable with the hypothesis of impurity segregation 27 in the phosphorus layer driven by the enhancement of the Cu solubility gradient between the emitter and the wafer bulk during the cooling ramps. Figure 4 plots the variation of the Cu diffusivity 28 and the equilibrium segregation coefficient k seg = S em S bulk calculated from the average Cu solubility in the bulk (S bulk ) and in the emitter (S em ) predicted by the model FIG.…”

Section: Discussionmentioning

confidence: 53%

Cu gettering by phosphorus-doped emitters in p-type silicon: Effect on light-induced degradation

et al. 2018

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The presence of copper (Cu) contamination is known to cause relevant light-induced degradation (Cu-LID) effects in p-type silicon. Due to its high diffusivity, Cu is generally regarded as a relatively benign impurity, which can be readily relocated during device fabrication from the wafer bulk, i.e. the region affected by Cu-LID, to the surface phosphorus-doped emitter. This contribution examines in detail the impact of gettering by industrially relevant phosphorus layers on the strength of Cu-LID effects. We find that phosphorus gettering does not always prevent the occurrence of Cu-LID. Specifically, air-cooling after an isothermal anneal at 800°C results in only weak impurity segregation to the phosphorus-doped layer, which turns out to be insufficient for effectively mitigating Cu-LID effects. Furthermore, we show that the gettering efficiency can be enhanced through the addition of a slow cooling ramp (-4°C/min) between 800°C and 600°C, resulting in the nearly complete disappearance of Cu-LID effects.

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Section: Discussionmentioning

confidence: 53%

Cu gettering by phosphorus-doped emitters in p-type silicon: Effect on light-induced degradation

et al. 2018

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“…In fact, as already seen, the pairing of the fast interstitial diffuser Mn i with immobile B − s dopants is driven by Coulomb interactions. 38 If Mn i is positive, the pairing will likely occur. Because p + doping shifts the Fermi level towards the valence band, the charge state of Mn will change from 0 to +, and perhaps further to ++ (see the three deep levels pointed out above).…”

Section: Near-ab Sitesmentioning

confidence: 99%

“…It was suggested that Mn occupies T sites while boron keeps its substitutional position within the pair. 38 In fact, taking into account that such pairing is driven by electrostatic attraction, one can estimate the distance d that would have to result between Mn and B: d = q 2 /(4π 0 E B ), in which q is the charge of the electron, the dielectric constant of Si, 0 the dielectric constant of vacuum and E B the binding energy of the pair. Assuming E B =0.5 eV, 39 one obtains d ∼ 2.4Å, which corresponds to a displacement of 0.05Å from T towards the ideal H site (i.e.…”

Section: Near-ab Sitesmentioning

confidence: 99%

Direct observation of the lattice sites of implanted manganese in silicon

et al. 2016

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Mn-doped Si has attracted significant interest in the context of dilute magnetic semiconductors. We investigated the lattice location of implanted Mn in silicon of different doping types (n, n + and p + ) in the highly dilute regime. Three different lattice sites were identified by means of emission channeling experiments: ideal substitutional sites; sites displaced from bond-centered towards substitutional sites and sites displaced from anti-bonding towards tetrahedral interstitial sites. For all doping types investigated, the substitutional fraction remained below ∼ 30%. We discuss the origin of the observed lattice sites as well as the implications of such structures on the understanding of Mn-doped Si systems.

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“…It is well known that the relatively low solubility of TMs in silicon prevents the development of stable magnetic order above room temperature. 1,2 Usually, TMs strongly react with silicon, forming different silicides, which are nonmagnetic or weakly magnetic materials. 3,4 However, there exist some remarkable exceptions, 5 such as Si:Mn dilute alloys, where a variety of magnetic properties was observed.…”

Section: Introductionmentioning

confidence: 99%

Ab initiostudy of the magnetic ordering in Si/Mn digital alloys

et al. 2011

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We present a first-principles study of the electronic structure and exchange interactions in Si/Mn digital magnetic alloy (DMA) consisting of Mn monolayers embedded in a Si matrix stacking along [001] direction. The main focus of our study is on the dependence of magnetic properties on the morphology of the Mn monolayer. Three different structural models for the Mn monolayer are considered: manganese in substitutional (i), interstitial (ii), and both interstitial and substitutional (iii) positions. The atomic positions in Si/Mn DMA are determined by means of the VASP code and then serve as input for multiple-scattering calculations of the electronic and magnetic structure. The magnetic force theorem is used to evaluate the exchange coupling parameters. A Heisenberg model based on those parameters is used to estimate magnon frequencies and magnetic phase-transition temperatures for different anisotropies. The magnetic properties of Si/Mn DMA are found to be strongly dependent on the underlying crystalline structure.

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Impact of the electronic structure on the solubility and diffusion of 3dtransition elements in silicon

Cited by 131 publications

References 22 publications

Cu gettering by phosphorus-doped emitters in p-type silicon: Effect on light-induced degradation

Cu gettering by phosphorus-doped emitters in p-type silicon: Effect on light-induced degradation

Direct observation of the lattice sites of implanted manganese in silicon

Ab initiostudy of the magnetic ordering in Si/Mn digital alloys

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